(5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one

C18H30O2 — CID 162882478

IUPAC(5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)[C@H]1CCC(C)(C)O1
InChIInChI=1S/C18H30O2/c1-14(9-7-11-16(3)19)8-6-10-15(2)17-12-13-18(4,5)20-17/h9-10,17H,6-8,11-13H2,1-5H3/b14-9+,15-10+/t17-/m1/s1
InChIKeyXKFUZZHODDFIKA-RLPPNNANSA-N
MW278.44 g/mol
LogP4.99
Rot. Bonds7

About (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one

(5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one (PubChem CID 162882478) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one
PubChem CID162882478
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)[C@H]1CCC(C)(C)O1
InChIInChI=1S/C18H30O2/c1-14(9-7-11-16(3)19)8-6-10-15(2)17-12-13-18(4,5)20-17/h9-10,17H,6-8,11-13H2,1-5H3/b14-9+,15-10+/t17-/m1/s1
InChIKeyXKFUZZHODDFIKA-RLPPNNANSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one with MolForge

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Related Compounds

methyl (2E,6E)-7-[(2R)-5,5-dimethyloxolan-2-yl]-3-methylocta-2,6-dienoate
CID 162922478
(5E,9E)-12-[(2R)-3,3-dimethyloxiran-2-yl]-6,10-dimethyldodeca-5,9-dien-2-one
CID 6446781
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one
CID 85389566
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
4-[3-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]oxiran-2-yl]butan-2-one
CID 175675030
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
(5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one
CID 145113711
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one?
The IUPAC name of (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one (CID 162882478) is (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one?
The canonical SMILES for (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one is CC(=O)CC/C=C(\C)CC/C=C(\C)[C@H]1CCC(C)(C)O1.
What is the InChIKey of (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one?
The InChIKey is XKFUZZHODDFIKA-RLPPNNANSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(9-7-11-16(3)19)8-6-10-15(2)17-12-13-18(4,5)20-17/h9-10,17H,6-8,11-13H2,1-5H3/b14-9+,15-10+/t17-/m1/s1.
What are the key properties of (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one?
(5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one has a molecular weight of 278.44 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one is sourced from PubChem (CID 162882478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).